4XYO
Structure of AgrA LytTR domain
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | ESRF BEAMLINE BM14 |
| Synchrotron site | ESRF |
| Beamline | BM14 |
| Temperature [K] | 100 |
| Detector technology | CCD |
| Collection date | 2014-04-12 |
| Detector | MAR CCD 165 mm |
| Wavelength(s) | 0.97625 |
| Spacegroup name | P 2 21 21 |
| Unit cell lengths | 31.270, 45.670, 95.450 |
| Unit cell angles | 90.00, 90.00, 90.00 |
Refinement procedure
| Resolution | 33.000 - 2.000 |
| R-factor | 0.19442 |
| Rwork | 0.193 |
| R-free | 0.23312 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 4g4k |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.339 |
| Data reduction software | SCALA |
| Data scaling software | SCALA |
| Phasing software | PHASER |
| Refinement software | REFMAC (5.8.0103) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 33.000 | |
| High resolution limit [Å] | 2.000 | |
| Rmerge | 0.597 | |
| Number of reflections | 9581 | |
| <I/σ(I)> | 15.9 | 4.6 |
| Completeness [%] | 98.0 | 95.5 |
| Redundancy | 12.3 | 11.9 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 7.5 | 298 | 2% Tacsimate pH 7.0, 0.1M HEPES pH 7.5, 20% w/v PEG 3350, 40% v/v acetone |
